2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine

C13H27NO2 — CID 79114442

IUPAC2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
SMILESC=CCCCOCCNCCOCCCC
InChIInChI=1S/C13H27NO2/c1-3-5-7-11-16-13-9-14-8-12-15-10-6-4-2/h3,14H,1,4-13H2,2H3
InChIKeyRUDCSMLFHLMZPU-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.38
Rot. Bonds13

About 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine

2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine (PubChem CID 79114442) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
PubChem CID79114442
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine
SMILESC=CCCCOCCNCCOCCCC
InChIInChI=1S/C13H27NO2/c1-3-5-7-11-16-13-9-14-8-12-15-10-6-4-2/h3,14H,1,4-13H2,2H3
InChIKeyRUDCSMLFHLMZPU-UHFFFAOYSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
3,3-dimethyl-N-(2-pent-4-enoxyethyl)butan-1-amine
CID 79113987
2-butoxy-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427700
N-(2-butoxyethyl)heptan-1-amine
CID 61168932
N-(2-but-3-enoxyethyl)hept-6-en-1-amine
CID 106401455
2-ethoxy-N-(2-octoxyethyl)ethanamine
CID 62597622
2-butoxy-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
CID 114470898
2-[(Z)-octadec-6-enoxy]-N-[2-[(Z)-octadec-6-enoxy]ethyl]ethanamine
CID 88888828
2-octadecoxy-N-(2-octadecoxyethyl)ethanamine;hydrochloride
CID 175378194
N-(2-pentoxyethyl)butan-1-amine
CID 54396114
2-[2-(2-butoxyethoxy)ethoxy]-N-(2-iodoethyl)ethanamine
CID 114505577
2-(4-propoxybutoxy)-N-[2-(4-propoxybutoxy)ethyl]ethanamine
CID 87914124

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine (CID 79114442) is 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine is C=CCCCOCCNCCOCCCC.
What is the InChIKey of 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine?
The InChIKey is RUDCSMLFHLMZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-7-11-16-13-9-14-8-12-15-10-6-4-2/h3,14H,1,4-13H2,2H3.
What are the key properties of 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine?
2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine has a molecular weight of 229.36 g/mol, XLogP of 2.38, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(2-pent-4-enoxyethyl)ethanamine is sourced from PubChem (CID 79114442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).